(1s 2 2s 2 2p 4 4p 1 ) 2 S F 0
F( r ) = Σ j C j S nl ( α j ,r) Y l,m ( r )
Table 2041.
N.V.Novikov // Wave Function Value Database;
http://cdfe.sinp.msu.ru/services/wftables/
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 4p- electron | |
| 1 | 2p | .477854 | -.11466137 |
| 2 | 2p | 1.219238 | .11941805 |
| 3 | 3p | .299703 | -7.47578538 |
| 4 | 4p | .355181 | 9.97242059 |
| 5 | 5p | .421468 | -1.65273834 |
| 6 | 2p | 4.236138 | .02974500 |
| 7 | 5p | .270891 | -.54289017 |
| 8 | 3p | 10.245127 | -.00068182 |
| 9 | 5p | 4.561695 | .00560584 |
| ORB.ENERGY,a.u. | -.047286 | ||
| NORM | 1.000000 | < R > | 10.904520 | < R2 > | 156.682335 | < 1/R > | .136476 | < 1/R**2 > | .036311 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2p- electron | |
| 1 | 2p | 2.751803 | .67259645 |
| 2 | 2p | 5.988789 | .12611486 |
| 3 | 3p | 2.108281 | .24159050 |
| 4 | 4p | 6.294642 | .05138204 |
| 5 | 5p | 11.701473 | .00315180 |
| 6 | 5p | .457743 | .02851285 |
| 7 | 4p | .398970 | -.03081740 |
| 8 | 4p | 19.066119 | .00006800 |
| 9 | 3p | .518215 | .00438208 |
| ORB.ENERGY,a.u. | -1.096300 | ||
| NORM | 1.000000 | < R > | .969553 | < R2 > | 1.194310 | < 1/R > | 1.378009 | < 1/R**2 > | 2.732574 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 2s- electron | |
| 1 | 1s | 7.459678 | .30428943 |
| 2 | 2s | 3.293204 | -.83964519 |
| 3 | 3s | 2.605859 | -.32132169 |
| 4 | 4s | 4.930946 | .03169470 |
| 5 | 3s | 8.548360 | .02783802 |
| 6 | 5s | 18.530579 | .00090952 |
| 7 | 5s | 2.233964 | -.00507048 |
| 8 | 3s | 31.648110 | -.00006166 |
| ORB.ENERGY,a.u. | -1.378300 | ||
| NORM | 1.000000 | < R > | .961277 | < R2 > | 1.109548 | < 1/R > | 1.502837 | < 1/R**2 > | 9.290430 |
| j | S nl j (α j ,r) | C j | |
| nl j | α j | 1s- electron | |
| 1 | 1s | 8.231083 | .87187810 |
| 2 | 1s | 12.230057 | .12115858 |
| 3 | 1s | 9.953601 | .00278710 |
| 4 | 2s | 6.007947 | .01818839 |
| 5 | 3s | 8.213718 | -.00759972 |
| 6 | 4s | 17.133123 | .00293956 |
| 7 | 5s | 51.547650 | -.00004141 |
| 8 | 5s | 4.201865 | .00045031 |
| ORB.ENERGY,a.u. | -25.624000 |
| NORM | 1.000000 | < R > | .175672 | < R2 > | .041565 | < 1/R > | 8.632365 | < 1/R**2 > | 150.884986 |
Total Energy= -98.88077543 a.u.
Kinetic Energy= 98.92881723 a.u.
Potential Energy= -197.80959266 a.u.
Virial Ratio = -1.99951438